Ethaneperoxoic acid, 1,1-dimethylpropyl ester

Base Information

• Chemical Name: Ethaneperoxoic acid, 1,1-dimethylpropyl ester
• CAS No.: 690-83-5
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• Hs Code.: 2918300090
• European Community (EC) Number: 614-922-1
• DSSTox Substance ID: DTXSID1074593
• Nikkaji Number: J1.436.496J
• Wikidata: Q82002865
• Mol file: 690-83-5.mol

Synonyms:690-83-5;Ethaneperoxoic acid, 1,1-dimethylpropyl ester;t-amyl peroxyacetate;TERT-AMYL PEROXYACETATE;SCHEMBL217180;DTXSID1074593;FSGAMPVWQZPGJF-UHFFFAOYSA-N;NS00036800

Chemical Property of Ethaneperoxoic acid, 1,1-dimethylpropyl ester

Chemical Property:

• Vapor Pressure: 4.383mmHg at 25°C
• Boiling Point: 147.64°C at 760 mmHg
• Flash Point: 47.409°C
• PSA: 35.53000
• Density: 0.949g/cm³
• LogP: 1.66970
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)OOC(=O)C

Technology Process of Ethaneperoxoic acid, 1,1-dimethylpropyl ester

There total 2 articles about Ethaneperoxoic acid, 1,1-dimethylpropyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

tert-amyl hydroperoxide (3425-61-4) + acetic anhydride (108-24-7) → 1,1-dimethylpropyl peroxyacetate (690-83-5) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

at 50 ℃; Rate constant; rate constants for the catalyzed and the uncatalyzed acetylation of hydroperoxides;

DOI:10.1007/BF00957695

Reference yield:

→ 1,1-dimethylpropyl peroxyacetate (690-83-5)

Guidance literature:

Acetanhydrid, tert.Pentylhydroperoxid, Erwaermen bis 50grad;

Reference yield:

1,1-dimethylpropyl peroxyacetate (690-83-5) → acetone (67-64-1)

Guidance literature:

In n-heptane; at 170 ℃; under 375030 Torr; Further Variations:; Temperatures; Pressures; Kinetics;

DOI:10.1524/zpch.217.9.1169.20402

upstream raw materials:

tert-amyl hydroperoxide

acetic anhydride

Downstream raw materials:

acetone

Refernces